C200-7477 Screening compound: 4-(3,4-diethoxybenzyl)-2-(2,5-dimethylbenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

C200-7477 Screening compound: 4-(3,4-diethoxybenzyl)-2-(2,5-dimethylbenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
C200-7477 Screening compound: 4-(3,4-diethoxybenzyl)-2-(2,5-dimethylbenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7477
4-(3,4-diethoxybenzyl)-2-(2,5-dimethylbenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C200-7477

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

4-(3,4-diethoxybenzyl)-2-(2,5-dimethylbenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

IUPAC name

8-[(34-diethoxyphenyl)methyl]-11-[(25-dimethylphenyl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

CCOc(ccc(CN(C(N1c2c3scc2)=NN(Cc2c(C)ccc(C)c2)C1=O)C3=O)c1)c1OCC

InChI

InChI=1S/C27H28N4O4S/c1-5-34-22-10-9-19(14-23(22)35-6-2)15-29-25(32)24-21(11-12-36-24)31-26(29)28-30(27(31)33)16-20-13-17(3)7-8-18(20)4/h7-14H,5-6,15-16H2,1-4H3

InChI Key

OPEVFAAOIBDLIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-5.27

Polar Surface Area

63.374

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C200-7477 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C200-7477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7477?
Check Price and Availability of C200-7477, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-7477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7477
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C200-7477 available by request